南京南京大学结构化学双语课件CH5LEC2.pptVIP

BH3 : C3v BH3 CH4: Td CH4 氢原子轨道的对称性约化 {1sa, 1sb , 1sc , 1sd} SALC Transformation Matrix C2H4: D2h 5.1 Molecular Orbitals and Energy Levels 5.1 Molecular Orbitals and Energy Levels Symmetry Reduction of 12-D Basis Set MO’s of :CH2 From Fragments to the Total System 5.2 Molecular Geometry and Walsh Rule Construction of Energy-level Correlation Diagram AH2 Molecular Geometry and Walsh Rule AH3 Molecular Geometry and Walsh Rule * LCAO with the following atomic orbitals B: 2s; 2px, 2py, 2pz 3H: 1sa, 1sb, 1sc Symmetry: D3h x y a b c It is convenient to employ the sub-gr